CID 5281713

Chlorophorin

Structural Information

Molecular Formula
C24H28O4
SMILES
CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O)/C)C
InChI
InChI=1S/C24H28O4/c1-16(2)5-4-6-17(3)7-12-21-23(27)13-18(14-24(21)28)8-9-19-10-11-20(25)15-22(19)26/h5,7-11,13-15,25-28H,4,6,12H2,1-3H3/b9-8+,17-7+
InChIKey
OEILZVSHVTYHKL-MZYNZGBKSA-N
Compound name
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

380.19876 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 195.0
[M+Na]+ 403.18798 200.1
[M-H]- 379.19148 196.1
[M+NH4]+ 398.23258 204.6
[M+K]+ 419.16192 192.8
[M+H-H2O]+ 363.19602 187.6
[M+HCOO]- 425.19696 209.2
[M+CH3COO]- 439.21261 214.4
[M+Na-2H]- 401.17343 190.0
[M]+ 380.19821 194.3
[M]- 380.19931 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe